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1-(pyrrolidin-1-yl)hexadecan-1-one

1-(pyrrolidin-1-yl)hexadecan-1-one

CAS: 70974-48-0

Formula: C20H39NO

SMILES: CCCCCCCCCCCCCCCC(=O)N1CCCC1

IUPAC: 1-(pyrrolidin-1-yl)hexadecan-1-one

InChI: InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3

Composition: C (77.61%), H (12.70%), N (4.53%), O (5.17%)

Molar Mass: 309.538

Atom Count: 61

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 309.30316488
Formal Charge 0
FSP3 0.95
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ULDNZNZTSYZQKK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 96.24
Topological Polar Surface Area 20.31
Polarizability 38.07
Ring Count 1
Rotatable Bond Count 14

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